USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 709 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 69:sc= 0.0413 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.0405 USER MOD Set 2.1: A 28 THR OG1 : rot -113:sc= 0.989 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.183 USER MOD Set 3.1: A 4 GLN : amide:sc=-0.00744 X(o=-0.068,f=0.16) USER MOD Set 3.2: A 6 LYS NZ :NH3+ -143:sc= -0.0603 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.0238 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -135:sc= -4.43! (180deg=-9.8!) USER MOD Single : A 9 THR OG1 : rot -71:sc= -5.06! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -127:sc= 1.3 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 152:sc= -1.39 (180deg=-3.3!) USER MOD Single : A 34 ASN : amide:sc= -2.88 K(o=-2.9,f=-10!) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= -0.218 (180deg=-2) USER MOD Single : A 40 ASN : amide:sc= -3.2! C(o=-3.2!,f=-12!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0636 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0497 USER MOD Single : A 57 ASN : amide:sc=-0.00512 X(o=-0.0051,f=0.42) USER MOD Single : A 58 THR OG1 : rot -56:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 44:sc= 0.258 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 69 SER OG : rot -160:sc= -0.883 USER MOD Single : A 74 THR OG1 : rot 110:sc= -0.0646 USER MOD Single : A 78 TYR OH : rot 21:sc= -0.873 USER MOD Single : A 79 SER OG : rot 180:sc= -0.301 USER MOD Single : A 81 TYR OH : rot -119:sc= -0.557 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 151:sc= -2.5 (180deg=-4.47!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.57! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.242 -10.203 0.022 1.00 0.00 N ATOM 2 CA ALA A 1 -12.496 -10.437 -1.389 1.00 0.00 C ATOM 3 C ALA A 1 -12.629 -9.094 -2.110 1.00 0.00 C ATOM 4 O ALA A 1 -13.634 -8.401 -1.956 1.00 0.00 O ATOM 5 CB ALA A 1 -13.743 -11.309 -1.545 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.356 -10.672 0.298 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.161 -9.181 0.195 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.027 -10.588 0.585 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.664 -10.973 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.934 -11.485 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.585 -12.263 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.600 -10.802 -1.101 1.00 0.00 H new ATOM 11 N SER A 2 -11.602 -8.767 -2.879 1.00 0.00 N ATOM 12 CA SER A 2 -11.592 -7.518 -3.623 1.00 0.00 C ATOM 13 C SER A 2 -11.562 -6.334 -2.657 1.00 0.00 C ATOM 14 O SER A 2 -12.589 -5.702 -2.411 1.00 0.00 O ATOM 15 CB SER A 2 -12.806 -7.420 -4.548 1.00 0.00 C ATOM 16 OG SER A 2 -12.855 -8.494 -5.483 1.00 0.00 O ATOM 0 H SER A 2 -10.771 -9.345 -3.004 1.00 0.00 H new ATOM 0 HA SER A 2 -10.695 -7.495 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.718 -7.418 -3.950 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.776 -6.473 -5.086 1.00 0.00 H new ATOM 0 HG SER A 2 -13.646 -8.395 -6.054 1.00 0.00 H new ATOM 22 N VAL A 3 -10.374 -6.066 -2.133 1.00 0.00 N ATOM 23 CA VAL A 3 -10.198 -4.968 -1.199 1.00 0.00 C ATOM 24 C VAL A 3 -9.385 -3.859 -1.870 1.00 0.00 C ATOM 25 O VAL A 3 -8.944 -4.009 -3.009 1.00 0.00 O ATOM 26 CB VAL A 3 -9.558 -5.478 0.094 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.429 -6.553 0.750 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.143 -6.000 -0.164 1.00 0.00 C ATOM 0 H VAL A 3 -9.524 -6.591 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.163 -4.543 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.484 -4.639 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.952 -6.899 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.407 -6.135 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.549 -7.392 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.711 -6.356 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.183 -6.820 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.526 -5.196 -0.566 1.00 0.00 H new ATOM 38 N GLN A 4 -9.214 -2.769 -1.136 1.00 0.00 N ATOM 39 CA GLN A 4 -8.463 -1.635 -1.647 1.00 0.00 C ATOM 40 C GLN A 4 -7.712 -0.939 -0.509 1.00 0.00 C ATOM 41 O GLN A 4 -8.078 -1.080 0.658 1.00 0.00 O ATOM 42 CB GLN A 4 -9.380 -0.653 -2.378 1.00 0.00 C ATOM 43 CG GLN A 4 -10.658 -0.397 -1.577 1.00 0.00 C ATOM 44 CD GLN A 4 -11.758 0.182 -2.470 1.00 0.00 C ATOM 45 OE1 GLN A 4 -12.325 -0.491 -3.316 1.00 0.00 O ATOM 46 NE2 GLN A 4 -12.027 1.463 -2.235 1.00 0.00 N ATOM 0 H GLN A 4 -9.582 -2.647 -0.193 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.733 -2.004 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.855 0.288 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.636 -1.051 -3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.002 -1.328 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.447 0.293 -0.760 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.514 1.967 -1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.746 1.941 -2.778 1.00 0.00 H new ATOM 55 N ILE A 5 -6.676 -0.205 -0.886 1.00 0.00 N ATOM 56 CA ILE A 5 -5.871 0.512 0.087 1.00 0.00 C ATOM 57 C ILE A 5 -5.850 1.998 -0.270 1.00 0.00 C ATOM 58 O ILE A 5 -5.269 2.390 -1.282 1.00 0.00 O ATOM 59 CB ILE A 5 -4.480 -0.114 0.199 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.525 -1.411 1.009 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.473 0.885 0.771 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.819 -1.127 2.483 1.00 0.00 C ATOM 0 H ILE A 5 -6.375 -0.091 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.312 0.429 1.080 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.141 -0.373 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.291 -2.071 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.573 -1.934 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.492 0.414 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.412 1.755 0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.795 1.199 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.846 -2.066 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.038 -0.486 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.783 -0.626 2.572 1.00 0.00 H new ATOM 74 N LYS A 6 -6.491 2.788 0.579 1.00 0.00 N ATOM 75 CA LYS A 6 -6.552 4.225 0.365 1.00 0.00 C ATOM 76 C LYS A 6 -5.348 4.888 1.035 1.00 0.00 C ATOM 77 O LYS A 6 -4.927 4.475 2.113 1.00 0.00 O ATOM 78 CB LYS A 6 -7.900 4.778 0.835 1.00 0.00 C ATOM 79 CG LYS A 6 -8.845 4.997 -0.348 1.00 0.00 C ATOM 80 CD LYS A 6 -10.258 5.332 0.135 1.00 0.00 C ATOM 81 CE LYS A 6 -11.224 5.457 -1.045 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.272 4.414 -0.969 1.00 0.00 N ATOM 0 H LYS A 6 -6.973 2.461 1.416 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.491 4.456 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.354 4.086 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.747 5.720 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.469 5.806 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.871 4.101 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.608 4.555 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.242 6.265 0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.685 6.445 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.676 5.363 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.499 4.079 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.928 3.617 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.127 4.812 -0.530 1.00 0.00 H new ATOM 96 N MET A 7 -4.826 5.907 0.366 1.00 0.00 N ATOM 97 CA MET A 7 -3.678 6.632 0.882 1.00 0.00 C ATOM 98 C MET A 7 -4.073 8.043 1.322 1.00 0.00 C ATOM 99 O MET A 7 -4.203 8.941 0.493 1.00 0.00 O ATOM 100 CB MET A 7 -2.599 6.717 -0.199 1.00 0.00 C ATOM 101 CG MET A 7 -1.977 5.344 -0.462 1.00 0.00 C ATOM 102 SD MET A 7 -1.246 5.306 -2.090 1.00 0.00 S ATOM 103 CE MET A 7 -2.415 4.248 -2.928 1.00 0.00 C ATOM 0 H MET A 7 -5.178 6.247 -0.529 1.00 0.00 H new ATOM 0 HA MET A 7 -3.294 6.096 1.750 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.032 7.106 -1.120 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.824 7.418 0.110 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.219 5.129 0.291 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.739 4.569 -0.378 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.877 3.510 -3.522 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.037 3.738 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.047 4.850 -3.582 1.00 0.00 H new ATOM 113 N GLY A 8 -4.251 8.194 2.626 1.00 0.00 N ATOM 114 CA GLY A 8 -4.628 9.480 3.186 1.00 0.00 C ATOM 115 C GLY A 8 -6.031 9.423 3.796 1.00 0.00 C ATOM 116 O GLY A 8 -6.851 8.598 3.397 1.00 0.00 O ATOM 0 H GLY A 8 -4.141 7.446 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.907 9.774 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.597 10.243 2.408 1.00 0.00 H new ATOM 120 N THR A 9 -6.263 10.310 4.752 1.00 0.00 N ATOM 121 CA THR A 9 -7.551 10.371 5.420 1.00 0.00 C ATOM 122 C THR A 9 -8.215 11.729 5.177 1.00 0.00 C ATOM 123 O THR A 9 -7.535 12.712 4.890 1.00 0.00 O ATOM 124 CB THR A 9 -7.330 10.059 6.902 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.094 10.696 7.210 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.059 8.575 7.154 1.00 0.00 C ATOM 0 H THR A 9 -5.580 10.993 5.080 1.00 0.00 H new ATOM 0 HA THR A 9 -8.241 9.630 5.016 1.00 0.00 H new ATOM 0 HB THR A 9 -8.205 10.369 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.359 10.210 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.909 8.408 8.221 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.910 7.986 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.164 8.271 6.610 1.00 0.00 H new ATOM 134 N ASP A 10 -9.533 11.737 5.302 1.00 0.00 N ATOM 135 CA ASP A 10 -10.296 12.958 5.099 1.00 0.00 C ATOM 136 C ASP A 10 -9.804 14.029 6.074 1.00 0.00 C ATOM 137 O ASP A 10 -10.072 15.215 5.886 1.00 0.00 O ATOM 138 CB ASP A 10 -11.785 12.727 5.363 1.00 0.00 C ATOM 139 CG ASP A 10 -12.732 13.455 4.407 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.236 13.908 3.353 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.930 13.543 4.753 1.00 0.00 O ATOM 0 H ASP A 10 -10.093 10.919 5.541 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.158 13.274 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.987 11.657 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.011 13.040 6.382 1.00 0.00 H new ATOM 146 N LYS A 11 -9.092 13.574 7.095 1.00 0.00 N ATOM 147 CA LYS A 11 -8.560 14.479 8.099 1.00 0.00 C ATOM 148 C LYS A 11 -7.165 14.942 7.674 1.00 0.00 C ATOM 149 O LYS A 11 -6.257 15.026 8.500 1.00 0.00 O ATOM 150 CB LYS A 11 -8.596 13.825 9.482 1.00 0.00 C ATOM 151 CG LYS A 11 -9.856 14.235 10.249 1.00 0.00 C ATOM 152 CD LYS A 11 -9.631 14.141 11.760 1.00 0.00 C ATOM 153 CE LYS A 11 -10.961 14.198 12.515 1.00 0.00 C ATOM 154 NZ LYS A 11 -10.861 15.118 13.670 1.00 0.00 N ATOM 0 H LYS A 11 -8.871 12.590 7.248 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.182 15.371 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.567 12.741 9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.711 14.114 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.134 15.255 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.688 13.592 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.113 13.212 11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.987 14.957 12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.753 14.531 11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.234 13.200 12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.772 15.145 14.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.119 14.783 14.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.622 16.073 13.334 1.00 0.00 H new ATOM 168 N TYR A 12 -7.038 15.230 6.387 1.00 0.00 N ATOM 169 CA TYR A 12 -5.769 15.683 5.843 1.00 0.00 C ATOM 170 C TYR A 12 -4.599 14.941 6.492 1.00 0.00 C ATOM 171 O TYR A 12 -3.504 15.489 6.616 1.00 0.00 O ATOM 172 CB TYR A 12 -5.669 17.170 6.189 1.00 0.00 C ATOM 173 CG TYR A 12 -5.746 18.097 4.974 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.741 18.079 4.027 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.820 18.951 4.824 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.814 18.952 2.884 1.00 0.00 C ATOM 177 CE2 TYR A 12 -6.892 19.823 3.681 1.00 0.00 C ATOM 178 CZ TYR A 12 -5.886 19.781 2.768 1.00 0.00 C ATOM 179 OH TYR A 12 -5.954 20.605 1.687 1.00 0.00 O ATOM 0 H TYR A 12 -7.793 15.158 5.705 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.724 15.500 4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.471 17.427 6.881 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.729 17.349 6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.901 17.411 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.606 18.965 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.035 18.949 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.727 20.496 3.552 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.774 21.140 1.734 1.00 0.00 H new ATOM 189 N ALA A 13 -4.869 13.706 6.888 1.00 0.00 N ATOM 190 CA ALA A 13 -3.852 12.883 7.521 1.00 0.00 C ATOM 191 C ALA A 13 -3.299 11.889 6.499 1.00 0.00 C ATOM 192 O ALA A 13 -4.008 10.985 6.060 1.00 0.00 O ATOM 193 CB ALA A 13 -4.447 12.189 8.748 1.00 0.00 C ATOM 0 H ALA A 13 -5.778 13.255 6.783 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.021 13.498 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.684 11.572 9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.799 12.940 9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.283 11.560 8.441 1.00 0.00 H new ATOM 199 N PRO A 14 -2.003 12.093 6.140 1.00 0.00 N ATOM 200 CA PRO A 14 -1.347 11.225 5.179 1.00 0.00 C ATOM 201 C PRO A 14 -0.995 9.875 5.808 1.00 0.00 C ATOM 202 O PRO A 14 0.136 9.667 6.246 1.00 0.00 O ATOM 203 CB PRO A 14 -0.124 12.002 4.717 1.00 0.00 C ATOM 204 CG PRO A 14 0.113 13.070 5.772 1.00 0.00 C ATOM 205 CD PRO A 14 -1.132 13.154 6.639 1.00 0.00 C ATOM 0 HA PRO A 14 -1.987 10.976 4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.742 11.347 4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.293 12.451 3.738 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.984 12.821 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.316 14.032 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.892 13.007 7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.609 14.131 6.554 1.00 0.00 H new ATOM 213 N LEU A 15 -1.984 8.995 5.834 1.00 0.00 N ATOM 214 CA LEU A 15 -1.793 7.671 6.403 1.00 0.00 C ATOM 215 C LEU A 15 -2.537 6.642 5.550 1.00 0.00 C ATOM 216 O LEU A 15 -3.485 6.984 4.844 1.00 0.00 O ATOM 217 CB LEU A 15 -2.202 7.658 7.877 1.00 0.00 C ATOM 218 CG LEU A 15 -3.673 7.963 8.168 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.492 6.673 8.260 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.817 8.823 9.425 1.00 0.00 C ATOM 0 H LEU A 15 -2.920 9.172 5.470 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.738 7.397 6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.966 6.677 8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.589 8.384 8.410 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.073 8.541 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.534 6.917 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.427 6.133 7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.099 6.049 9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.872 9.025 9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.395 8.293 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.287 9.765 9.284 1.00 0.00 H new ATOM 232 N TYR A 16 -2.079 5.402 5.642 1.00 0.00 N ATOM 233 CA TYR A 16 -2.689 4.321 4.887 1.00 0.00 C ATOM 234 C TYR A 16 -3.987 3.854 5.549 1.00 0.00 C ATOM 235 O TYR A 16 -4.055 3.726 6.770 1.00 0.00 O ATOM 236 CB TYR A 16 -1.679 3.171 4.907 1.00 0.00 C ATOM 237 CG TYR A 16 -0.701 3.183 3.731 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.099 2.713 2.497 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.581 3.665 3.906 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.177 2.725 1.390 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.504 3.676 2.800 1.00 0.00 C ATOM 242 CZ TYR A 16 1.078 3.206 1.596 1.00 0.00 C ATOM 243 OH TYR A 16 1.949 3.216 0.551 1.00 0.00 O ATOM 0 H TYR A 16 -1.293 5.122 6.228 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.931 4.648 3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.113 3.214 5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.221 2.225 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.102 2.336 2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.892 4.034 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.476 2.360 0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.510 4.048 2.923 1.00 0.00 H new ATOM 0 HH TYR A 16 2.781 2.771 0.815 1.00 0.00 H new ATOM 253 N GLU A 17 -4.986 3.614 4.713 1.00 0.00 N ATOM 254 CA GLU A 17 -6.279 3.165 5.201 1.00 0.00 C ATOM 255 C GLU A 17 -6.882 2.138 4.240 1.00 0.00 C ATOM 256 O GLU A 17 -6.922 2.362 3.032 1.00 0.00 O ATOM 257 CB GLU A 17 -7.229 4.347 5.408 1.00 0.00 C ATOM 258 CG GLU A 17 -8.226 4.060 6.531 1.00 0.00 C ATOM 259 CD GLU A 17 -8.970 5.332 6.942 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.254 6.142 6.034 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.239 5.465 8.156 1.00 0.00 O ATOM 0 H GLU A 17 -4.926 3.722 3.700 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.133 2.686 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.655 5.242 5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.767 4.552 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.941 3.306 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.700 3.648 7.392 1.00 0.00 H new ATOM 268 N PRO A 18 -7.349 1.004 4.830 1.00 0.00 N ATOM 269 CA PRO A 18 -7.263 0.818 6.269 1.00 0.00 C ATOM 270 C PRO A 18 -5.830 0.492 6.695 1.00 0.00 C ATOM 271 O PRO A 18 -5.071 -0.100 5.929 1.00 0.00 O ATOM 272 CB PRO A 18 -8.246 -0.299 6.580 1.00 0.00 C ATOM 273 CG PRO A 18 -8.499 -1.011 5.260 1.00 0.00 C ATOM 274 CD PRO A 18 -7.968 -0.126 4.144 1.00 0.00 C ATOM 0 HA PRO A 18 -7.517 1.720 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.836 -0.985 7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.173 0.100 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.001 -1.981 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.564 -1.198 5.125 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.245 -0.659 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.770 0.203 3.484 1.00 0.00 H new ATOM 282 N LYS A 19 -5.505 0.892 7.914 1.00 0.00 N ATOM 283 CA LYS A 19 -4.177 0.649 8.453 1.00 0.00 C ATOM 284 C LYS A 19 -3.789 -0.810 8.202 1.00 0.00 C ATOM 285 O LYS A 19 -2.642 -1.102 7.866 1.00 0.00 O ATOM 286 CB LYS A 19 -4.111 1.058 9.925 1.00 0.00 C ATOM 287 CG LYS A 19 -2.662 1.223 10.385 1.00 0.00 C ATOM 288 CD LYS A 19 -2.442 0.568 11.750 1.00 0.00 C ATOM 289 CE LYS A 19 -1.314 1.261 12.516 1.00 0.00 C ATOM 290 NZ LYS A 19 -0.747 0.354 13.539 1.00 0.00 N ATOM 0 H LYS A 19 -6.138 1.383 8.545 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.440 1.269 7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.651 1.994 10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.607 0.305 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.991 0.777 9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.413 2.283 10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.363 0.614 12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.201 -0.487 11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.532 1.570 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.693 2.165 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.017 0.841 14.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.492 0.080 14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.367 -0.497 13.077 1.00 0.00 H new ATOM 304 N ALA A 20 -4.767 -1.687 8.375 1.00 0.00 N ATOM 305 CA ALA A 20 -4.542 -3.108 8.172 1.00 0.00 C ATOM 306 C ALA A 20 -5.579 -3.648 7.186 1.00 0.00 C ATOM 307 O ALA A 20 -6.684 -3.117 7.088 1.00 0.00 O ATOM 308 CB ALA A 20 -4.588 -3.830 9.520 1.00 0.00 C ATOM 0 H ALA A 20 -5.717 -1.441 8.653 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.556 -3.283 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.419 -4.896 9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.813 -3.430 10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.565 -3.679 9.980 1.00 0.00 H new ATOM 314 N LEU A 21 -5.186 -4.698 6.479 1.00 0.00 N ATOM 315 CA LEU A 21 -6.068 -5.316 5.504 1.00 0.00 C ATOM 316 C LEU A 21 -5.835 -6.828 5.497 1.00 0.00 C ATOM 317 O LEU A 21 -4.704 -7.285 5.655 1.00 0.00 O ATOM 318 CB LEU A 21 -5.894 -4.660 4.133 1.00 0.00 C ATOM 319 CG LEU A 21 -6.357 -5.486 2.930 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.828 -5.881 3.070 1.00 0.00 C ATOM 321 CD2 LEU A 21 -6.084 -4.746 1.619 1.00 0.00 C ATOM 0 H LEU A 21 -4.269 -5.136 6.562 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.111 -5.156 5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.439 -3.716 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.839 -4.419 3.999 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.777 -6.409 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.132 -6.467 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.961 -6.476 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.442 -4.982 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.422 -5.355 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.620 -3.797 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.015 -4.558 1.523 1.00 0.00 H new ATOM 333 N SER A 22 -6.922 -7.562 5.312 1.00 0.00 N ATOM 334 CA SER A 22 -6.850 -9.013 5.282 1.00 0.00 C ATOM 335 C SER A 22 -7.530 -9.545 4.019 1.00 0.00 C ATOM 336 O SER A 22 -8.545 -9.005 3.581 1.00 0.00 O ATOM 337 CB SER A 22 -7.493 -9.622 6.528 1.00 0.00 C ATOM 338 OG SER A 22 -7.193 -11.009 6.661 1.00 0.00 O ATOM 0 H SER A 22 -7.858 -7.179 5.181 1.00 0.00 H new ATOM 0 HA SER A 22 -5.799 -9.303 5.270 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.144 -9.089 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.574 -9.488 6.480 1.00 0.00 H new ATOM 0 HG SER A 22 -7.621 -11.360 7.470 1.00 0.00 H new ATOM 344 N ILE A 23 -6.944 -10.598 3.468 1.00 0.00 N ATOM 345 CA ILE A 23 -7.482 -11.209 2.265 1.00 0.00 C ATOM 346 C ILE A 23 -7.092 -12.688 2.232 1.00 0.00 C ATOM 347 O ILE A 23 -6.494 -13.198 3.178 1.00 0.00 O ATOM 348 CB ILE A 23 -7.041 -10.429 1.024 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.521 -10.485 0.854 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.561 -8.991 1.069 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.119 -10.158 -0.586 1.00 0.00 C ATOM 0 H ILE A 23 -6.102 -11.043 3.833 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.571 -11.165 2.270 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.480 -10.903 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.049 -9.779 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.158 -11.478 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.234 -8.458 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.650 -8.999 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.170 -8.490 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.034 -10.205 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.574 -10.881 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.463 -9.156 -0.841 1.00 0.00 H new ATOM 363 N SER A 24 -7.447 -13.337 1.132 1.00 0.00 N ATOM 364 CA SER A 24 -7.140 -14.747 0.962 1.00 0.00 C ATOM 365 C SER A 24 -6.233 -14.944 -0.253 1.00 0.00 C ATOM 366 O SER A 24 -5.971 -13.999 -0.997 1.00 0.00 O ATOM 367 CB SER A 24 -8.420 -15.573 0.810 1.00 0.00 C ATOM 368 OG SER A 24 -9.367 -15.284 1.834 1.00 0.00 O ATOM 0 H SER A 24 -7.945 -12.912 0.350 1.00 0.00 H new ATOM 0 HA SER A 24 -6.619 -15.094 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.867 -15.373 -0.164 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.172 -16.634 0.835 1.00 0.00 H new ATOM 0 HG SER A 24 -10.170 -15.830 1.701 1.00 0.00 H new ATOM 374 N ALA A 25 -5.779 -16.177 -0.419 1.00 0.00 N ATOM 375 CA ALA A 25 -4.907 -16.509 -1.532 1.00 0.00 C ATOM 376 C ALA A 25 -5.718 -16.508 -2.829 1.00 0.00 C ATOM 377 O ALA A 25 -6.474 -17.441 -3.095 1.00 0.00 O ATOM 378 CB ALA A 25 -4.233 -17.859 -1.268 1.00 0.00 C ATOM 0 H ALA A 25 -5.999 -16.958 0.199 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.118 -15.764 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.579 -18.108 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.645 -17.799 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.995 -18.631 -1.161 1.00 0.00 H new ATOM 384 N GLY A 26 -5.534 -15.448 -3.603 1.00 0.00 N ATOM 385 CA GLY A 26 -6.239 -15.312 -4.866 1.00 0.00 C ATOM 386 C GLY A 26 -7.030 -14.003 -4.915 1.00 0.00 C ATOM 387 O GLY A 26 -7.616 -13.665 -5.942 1.00 0.00 O ATOM 0 H GLY A 26 -4.907 -14.675 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.526 -15.341 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.916 -16.155 -5.001 1.00 0.00 H new ATOM 391 N ASP A 27 -7.021 -13.302 -3.790 1.00 0.00 N ATOM 392 CA ASP A 27 -7.730 -12.037 -3.691 1.00 0.00 C ATOM 393 C ASP A 27 -6.866 -10.925 -4.289 1.00 0.00 C ATOM 394 O ASP A 27 -5.709 -11.153 -4.640 1.00 0.00 O ATOM 395 CB ASP A 27 -8.016 -11.680 -2.232 1.00 0.00 C ATOM 396 CG ASP A 27 -9.159 -12.466 -1.586 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.520 -13.517 -2.159 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.645 -11.999 -0.533 1.00 0.00 O ATOM 0 H ASP A 27 -6.534 -13.586 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.672 -12.135 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.109 -11.842 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.247 -10.616 -2.172 1.00 0.00 H new ATOM 403 N THR A 28 -7.460 -9.746 -4.388 1.00 0.00 N ATOM 404 CA THR A 28 -6.760 -8.597 -4.937 1.00 0.00 C ATOM 405 C THR A 28 -6.751 -7.446 -3.930 1.00 0.00 C ATOM 406 O THR A 28 -7.589 -7.395 -3.031 1.00 0.00 O ATOM 407 CB THR A 28 -7.419 -8.234 -6.269 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.406 -9.453 -7.007 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.562 -7.283 -7.107 1.00 0.00 C ATOM 0 H THR A 28 -8.420 -9.561 -4.097 1.00 0.00 H new ATOM 0 HA THR A 28 -5.712 -8.827 -5.128 1.00 0.00 H new ATOM 0 HB THR A 28 -8.390 -7.776 -6.080 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.807 -9.362 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.076 -7.058 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.395 -6.359 -6.553 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.603 -7.753 -7.325 1.00 0.00 H new ATOM 417 N VAL A 29 -5.794 -6.548 -4.115 1.00 0.00 N ATOM 418 CA VAL A 29 -5.664 -5.400 -3.233 1.00 0.00 C ATOM 419 C VAL A 29 -5.454 -4.139 -4.073 1.00 0.00 C ATOM 420 O VAL A 29 -4.364 -3.914 -4.599 1.00 0.00 O ATOM 421 CB VAL A 29 -4.541 -5.641 -2.222 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.270 -4.382 -1.395 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.862 -6.833 -1.319 1.00 0.00 C ATOM 0 H VAL A 29 -5.101 -6.592 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.577 -5.256 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.634 -5.878 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.468 -4.579 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.976 -3.568 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.173 -4.101 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.048 -6.982 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.786 -6.639 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.981 -7.729 -1.928 1.00 0.00 H new ATOM 433 N GLU A 30 -6.512 -3.349 -4.172 1.00 0.00 N ATOM 434 CA GLU A 30 -6.456 -2.116 -4.940 1.00 0.00 C ATOM 435 C GLU A 30 -5.780 -1.013 -4.123 1.00 0.00 C ATOM 436 O GLU A 30 -5.582 -1.160 -2.918 1.00 0.00 O ATOM 437 CB GLU A 30 -7.854 -1.687 -5.390 1.00 0.00 C ATOM 438 CG GLU A 30 -7.841 -1.221 -6.847 1.00 0.00 C ATOM 439 CD GLU A 30 -9.179 -0.584 -7.231 1.00 0.00 C ATOM 440 OE1 GLU A 30 -10.166 -1.346 -7.322 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.184 0.651 -7.423 1.00 0.00 O ATOM 0 H GLU A 30 -7.413 -3.538 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.861 -2.294 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.548 -2.520 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.215 -0.882 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.036 -0.502 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.636 -2.068 -7.502 1.00 0.00 H new ATOM 448 N PHE A 31 -5.444 0.068 -4.813 1.00 0.00 N ATOM 449 CA PHE A 31 -4.795 1.196 -4.166 1.00 0.00 C ATOM 450 C PHE A 31 -5.202 2.515 -4.824 1.00 0.00 C ATOM 451 O PHE A 31 -5.106 2.660 -6.043 1.00 0.00 O ATOM 452 CB PHE A 31 -3.286 1.000 -4.335 1.00 0.00 C ATOM 453 CG PHE A 31 -2.697 -0.093 -3.441 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.799 -1.400 -3.805 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.070 0.241 -2.281 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.252 -2.413 -2.976 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.523 -0.772 -1.451 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.625 -2.078 -1.816 1.00 0.00 C ATOM 0 H PHE A 31 -5.609 0.186 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.086 1.240 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.076 0.756 -5.376 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.781 1.942 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.297 -1.666 -4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.988 1.278 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.333 -3.450 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.026 -0.506 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.208 -2.849 -1.185 1.00 0.00 H new ATOM 468 N VAL A 32 -5.650 3.442 -3.991 1.00 0.00 N ATOM 469 CA VAL A 32 -6.073 4.745 -4.477 1.00 0.00 C ATOM 470 C VAL A 32 -5.482 5.835 -3.581 1.00 0.00 C ATOM 471 O VAL A 32 -5.190 5.591 -2.412 1.00 0.00 O ATOM 472 CB VAL A 32 -7.600 4.801 -4.562 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.226 4.796 -3.165 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.060 6.019 -5.366 1.00 0.00 C ATOM 0 H VAL A 32 -5.730 3.317 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.699 4.917 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.941 3.907 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.312 4.836 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.938 3.885 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.875 5.663 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.149 6.035 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.703 6.929 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.656 5.962 -6.377 1.00 0.00 H new ATOM 484 N MET A 33 -5.325 7.015 -4.164 1.00 0.00 N ATOM 485 CA MET A 33 -4.775 8.143 -3.432 1.00 0.00 C ATOM 486 C MET A 33 -5.887 9.068 -2.934 1.00 0.00 C ATOM 487 O MET A 33 -6.538 9.746 -3.728 1.00 0.00 O ATOM 488 CB MET A 33 -3.827 8.928 -4.342 1.00 0.00 C ATOM 489 CG MET A 33 -2.381 8.465 -4.157 1.00 0.00 C ATOM 490 SD MET A 33 -1.333 9.234 -5.378 1.00 0.00 S ATOM 491 CE MET A 33 -1.901 10.922 -5.255 1.00 0.00 C ATOM 0 H MET A 33 -5.569 7.214 -5.134 1.00 0.00 H new ATOM 0 HA MET A 33 -4.231 7.762 -2.568 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.124 8.797 -5.382 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.903 9.993 -4.120 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.034 8.720 -3.156 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.323 7.380 -4.248 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.093 11.599 -5.532 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.746 11.071 -5.927 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.211 11.128 -4.231 1.00 0.00 H new ATOM 501 N ASN A 34 -6.071 9.066 -1.622 1.00 0.00 N ATOM 502 CA ASN A 34 -7.094 9.896 -1.009 1.00 0.00 C ATOM 503 C ASN A 34 -6.690 11.366 -1.128 1.00 0.00 C ATOM 504 O ASN A 34 -7.326 12.132 -1.851 1.00 0.00 O ATOM 505 CB ASN A 34 -7.251 9.568 0.478 1.00 0.00 C ATOM 506 CG ASN A 34 -8.499 8.719 0.724 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.802 7.789 -0.005 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.205 9.090 1.788 1.00 0.00 N ATOM 0 H ASN A 34 -5.529 8.503 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.036 9.705 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.369 9.034 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.316 10.492 1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.057 8.586 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.895 9.878 2.356 1.00 0.00 H new ATOM 515 N LYS A 35 -5.635 11.718 -0.408 1.00 0.00 N ATOM 516 CA LYS A 35 -5.138 13.083 -0.425 1.00 0.00 C ATOM 517 C LYS A 35 -3.748 13.124 0.212 1.00 0.00 C ATOM 518 O LYS A 35 -3.132 12.083 0.433 1.00 0.00 O ATOM 519 CB LYS A 35 -6.145 14.028 0.235 1.00 0.00 C ATOM 520 CG LYS A 35 -6.430 13.604 1.678 1.00 0.00 C ATOM 521 CD LYS A 35 -7.856 13.066 1.820 1.00 0.00 C ATOM 522 CE LYS A 35 -8.871 14.210 1.855 1.00 0.00 C ATOM 523 NZ LYS A 35 -8.637 15.077 3.032 1.00 0.00 N ATOM 0 H LYS A 35 -5.110 11.081 0.191 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.029 13.436 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.757 15.046 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.073 14.033 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.717 12.839 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.290 14.455 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.082 12.400 0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.937 12.475 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.795 14.799 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.882 13.805 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.533 15.520 3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.266 14.504 3.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.948 15.816 2.787 1.00 0.00 H new ATOM 537 N VAL A 36 -3.294 14.337 0.490 1.00 0.00 N ATOM 538 CA VAL A 36 -1.987 14.527 1.097 1.00 0.00 C ATOM 539 C VAL A 36 -0.947 13.718 0.321 1.00 0.00 C ATOM 540 O VAL A 36 -0.172 12.968 0.913 1.00 0.00 O ATOM 541 CB VAL A 36 -2.044 14.162 2.582 1.00 0.00 C ATOM 542 CG1 VAL A 36 -0.953 14.894 3.367 1.00 0.00 C ATOM 543 CG2 VAL A 36 -3.427 14.453 3.167 1.00 0.00 C ATOM 0 H VAL A 36 -3.808 15.199 0.306 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.688 15.574 1.044 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.862 13.091 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.015 14.618 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.026 14.616 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.092 15.970 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.439 14.184 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.651 15.514 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.177 13.868 2.635 1.00 0.00 H new ATOM 553 N GLY A 37 -0.963 13.898 -0.991 1.00 0.00 N ATOM 554 CA GLY A 37 -0.030 13.194 -1.855 1.00 0.00 C ATOM 555 C GLY A 37 1.154 14.088 -2.227 1.00 0.00 C ATOM 556 O GLY A 37 1.346 15.149 -1.635 1.00 0.00 O ATOM 0 H GLY A 37 -1.607 14.521 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.331 12.297 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.542 12.868 -2.760 1.00 0.00 H new ATOM 560 N PRO A 38 1.937 13.616 -3.234 1.00 0.00 N ATOM 561 CA PRO A 38 1.639 12.350 -3.882 1.00 0.00 C ATOM 562 C PRO A 38 2.021 11.171 -2.985 1.00 0.00 C ATOM 563 O PRO A 38 2.528 11.365 -1.881 1.00 0.00 O ATOM 564 CB PRO A 38 2.421 12.382 -5.185 1.00 0.00 C ATOM 565 CG PRO A 38 3.486 13.451 -5.005 1.00 0.00 C ATOM 566 CD PRO A 38 3.122 14.270 -3.779 1.00 0.00 C ATOM 0 HA PRO A 38 0.574 12.216 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.872 11.412 -5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.769 12.618 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.468 12.994 -4.881 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.540 14.088 -5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.936 14.281 -3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.916 15.307 -4.043 1.00 0.00 H new ATOM 574 N HIS A 39 1.761 9.975 -3.492 1.00 0.00 N ATOM 575 CA HIS A 39 2.071 8.764 -2.750 1.00 0.00 C ATOM 576 C HIS A 39 2.760 7.758 -3.674 1.00 0.00 C ATOM 577 O HIS A 39 3.118 8.090 -4.803 1.00 0.00 O ATOM 578 CB HIS A 39 0.814 8.196 -2.087 1.00 0.00 C ATOM 579 CG HIS A 39 0.063 9.195 -1.239 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.104 9.184 0.144 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.747 10.234 -1.592 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.651 10.175 0.594 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.178 10.825 -0.484 1.00 0.00 N ATOM 0 H HIS A 39 1.339 9.818 -4.407 1.00 0.00 H new ATOM 0 HA HIS A 39 2.764 8.996 -1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.147 7.817 -2.861 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.096 7.346 -1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.996 10.526 -2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.820 10.425 1.631 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.801 11.632 -0.445 1.00 0.00 H new ATOM 591 N ASN A 40 2.924 6.547 -3.160 1.00 0.00 N ATOM 592 CA ASN A 40 3.564 5.492 -3.925 1.00 0.00 C ATOM 593 C ASN A 40 3.515 4.187 -3.127 1.00 0.00 C ATOM 594 O ASN A 40 3.216 4.198 -1.933 1.00 0.00 O ATOM 595 CB ASN A 40 5.033 5.822 -4.199 1.00 0.00 C ATOM 596 CG ASN A 40 5.675 6.509 -2.993 1.00 0.00 C ATOM 597 OD1 ASN A 40 5.087 6.634 -1.931 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.911 6.949 -3.215 1.00 0.00 N ATOM 0 H ASN A 40 2.625 6.274 -2.224 1.00 0.00 H new ATOM 0 HA ASN A 40 3.033 5.394 -4.872 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.577 4.907 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.107 6.469 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.424 7.424 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.345 6.812 -4.128 1.00 0.00 H new ATOM 605 N VAL A 41 3.810 3.095 -3.816 1.00 0.00 N ATOM 606 CA VAL A 41 3.803 1.787 -3.186 1.00 0.00 C ATOM 607 C VAL A 41 5.240 1.279 -3.059 1.00 0.00 C ATOM 608 O VAL A 41 5.866 0.918 -4.055 1.00 0.00 O ATOM 609 CB VAL A 41 2.899 0.834 -3.971 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.960 -0.581 -3.391 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.459 1.349 -4.007 1.00 0.00 C ATOM 0 H VAL A 41 4.056 3.090 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 41 3.391 1.850 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 41 3.266 0.793 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.309 -1.239 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.984 -0.951 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.630 -0.563 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.838 0.653 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.077 1.434 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.434 2.328 -4.486 1.00 0.00 H new ATOM 621 N ILE A 42 5.722 1.265 -1.825 1.00 0.00 N ATOM 622 CA ILE A 42 7.075 0.807 -1.555 1.00 0.00 C ATOM 623 C ILE A 42 7.042 -0.229 -0.430 1.00 0.00 C ATOM 624 O ILE A 42 7.396 0.075 0.709 1.00 0.00 O ATOM 625 CB ILE A 42 7.996 1.995 -1.271 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.703 3.156 -2.223 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.466 1.572 -1.318 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.273 2.880 -3.616 1.00 0.00 C ATOM 0 H ILE A 42 5.200 1.563 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 42 7.493 0.313 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 42 7.795 2.349 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.626 3.312 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.134 4.075 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.100 2.435 -1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.647 0.802 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.700 1.177 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.051 3.721 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.353 2.748 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.822 1.974 -4.021 1.00 0.00 H new ATOM 640 N PHE A 43 6.616 -1.431 -0.787 1.00 0.00 N ATOM 641 CA PHE A 43 6.532 -2.514 0.179 1.00 0.00 C ATOM 642 C PHE A 43 7.829 -2.632 0.982 1.00 0.00 C ATOM 643 O PHE A 43 8.837 -2.018 0.635 1.00 0.00 O ATOM 644 CB PHE A 43 6.317 -3.805 -0.614 1.00 0.00 C ATOM 645 CG PHE A 43 4.913 -3.943 -1.208 1.00 0.00 C ATOM 646 CD1 PHE A 43 4.636 -3.409 -2.427 1.00 0.00 C ATOM 647 CD2 PHE A 43 3.945 -4.600 -0.516 1.00 0.00 C ATOM 648 CE1 PHE A 43 3.333 -3.538 -2.979 1.00 0.00 C ATOM 649 CE2 PHE A 43 2.642 -4.729 -1.067 1.00 0.00 C ATOM 650 CZ PHE A 43 2.364 -4.196 -2.286 1.00 0.00 C ATOM 0 H PHE A 43 6.325 -1.680 -1.732 1.00 0.00 H new ATOM 0 HA PHE A 43 5.718 -2.327 0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.048 -3.850 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.510 -4.657 0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.406 -2.887 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.166 -5.024 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.112 -3.114 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.872 -5.251 -0.517 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.373 -4.295 -2.705 1.00 0.00 H new ATOM 660 N ASP A 44 7.761 -3.427 2.040 1.00 0.00 N ATOM 661 CA ASP A 44 8.917 -3.634 2.895 1.00 0.00 C ATOM 662 C ASP A 44 9.511 -5.017 2.616 1.00 0.00 C ATOM 663 O ASP A 44 10.715 -5.147 2.397 1.00 0.00 O ATOM 664 CB ASP A 44 8.526 -3.578 4.373 1.00 0.00 C ATOM 665 CG ASP A 44 9.616 -3.056 5.311 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.534 -2.383 4.795 1.00 0.00 O ATOM 667 OD2 ASP A 44 9.507 -3.342 6.523 1.00 0.00 O ATOM 0 H ASP A 44 6.924 -3.935 2.324 1.00 0.00 H new ATOM 0 HA ASP A 44 9.639 -2.846 2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.645 -2.945 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.239 -4.579 4.696 1.00 0.00 H new ATOM 672 N LYS A 45 8.640 -6.015 2.633 1.00 0.00 N ATOM 673 CA LYS A 45 9.063 -7.382 2.384 1.00 0.00 C ATOM 674 C LYS A 45 7.930 -8.338 2.759 1.00 0.00 C ATOM 675 O LYS A 45 7.225 -8.117 3.742 1.00 0.00 O ATOM 676 CB LYS A 45 10.379 -7.676 3.107 1.00 0.00 C ATOM 677 CG LYS A 45 11.532 -7.821 2.111 1.00 0.00 C ATOM 678 CD LYS A 45 12.546 -8.859 2.595 1.00 0.00 C ATOM 679 CE LYS A 45 13.337 -8.336 3.795 1.00 0.00 C ATOM 680 NZ LYS A 45 13.088 -9.177 4.986 1.00 0.00 N ATOM 0 H LYS A 45 7.643 -5.904 2.815 1.00 0.00 H new ATOM 0 HA LYS A 45 9.268 -7.530 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.600 -6.872 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.281 -8.591 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.141 -8.115 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.026 -6.859 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.028 -9.778 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.231 -9.109 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.402 -8.331 3.562 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.052 -7.305 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.633 -8.808 5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.074 -9.160 5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.382 -10.155 4.788 1.00 0.00 H new ATOM 694 N VAL A 46 7.788 -9.382 1.954 1.00 0.00 N ATOM 695 CA VAL A 46 6.751 -10.372 2.189 1.00 0.00 C ATOM 696 C VAL A 46 7.381 -11.767 2.211 1.00 0.00 C ATOM 697 O VAL A 46 8.433 -11.987 1.614 1.00 0.00 O ATOM 698 CB VAL A 46 5.645 -10.232 1.140 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.188 -8.777 1.017 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.101 -10.779 -0.215 1.00 0.00 C ATOM 0 H VAL A 46 8.374 -9.563 1.139 1.00 0.00 H new ATOM 0 HA VAL A 46 6.282 -10.211 3.159 1.00 0.00 H new ATOM 0 HB VAL A 46 4.793 -10.825 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.402 -8.705 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.804 -8.434 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.032 -8.154 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.296 -10.667 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.976 -10.226 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.355 -11.834 -0.115 1.00 0.00 H new ATOM 710 N PRO A 47 6.691 -12.697 2.924 1.00 0.00 N ATOM 711 CA PRO A 47 7.171 -14.065 3.032 1.00 0.00 C ATOM 712 C PRO A 47 6.932 -14.834 1.731 1.00 0.00 C ATOM 713 O PRO A 47 6.228 -14.355 0.842 1.00 0.00 O ATOM 714 CB PRO A 47 6.421 -14.652 4.216 1.00 0.00 C ATOM 715 CG PRO A 47 5.218 -13.751 4.437 1.00 0.00 C ATOM 716 CD PRO A 47 5.440 -12.474 3.643 1.00 0.00 C ATOM 0 HA PRO A 47 8.248 -14.122 3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.109 -15.676 4.012 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.054 -14.682 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.304 -14.248 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.099 -13.526 5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.616 -12.287 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.510 -11.607 4.299 1.00 0.00 H new ATOM 724 N ALA A 48 7.530 -16.014 1.659 1.00 0.00 N ATOM 725 CA ALA A 48 7.391 -16.854 0.483 1.00 0.00 C ATOM 726 C ALA A 48 8.229 -16.270 -0.657 1.00 0.00 C ATOM 727 O ALA A 48 8.914 -15.264 -0.477 1.00 0.00 O ATOM 728 CB ALA A 48 5.912 -16.977 0.115 1.00 0.00 C ATOM 0 H ALA A 48 8.113 -16.408 2.398 1.00 0.00 H new ATOM 0 HA ALA A 48 7.761 -17.859 0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.808 -17.608 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.366 -17.423 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.506 -15.988 -0.096 1.00 0.00 H new ATOM 734 N GLY A 49 8.146 -16.926 -1.806 1.00 0.00 N ATOM 735 CA GLY A 49 8.887 -16.485 -2.974 1.00 0.00 C ATOM 736 C GLY A 49 8.095 -15.443 -3.766 1.00 0.00 C ATOM 737 O GLY A 49 8.060 -15.486 -4.995 1.00 0.00 O ATOM 0 H GLY A 49 7.576 -17.760 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.843 -16.062 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.109 -17.340 -3.612 1.00 0.00 H new ATOM 741 N GLU A 50 7.477 -14.531 -3.029 1.00 0.00 N ATOM 742 CA GLU A 50 6.686 -13.481 -3.647 1.00 0.00 C ATOM 743 C GLU A 50 7.600 -12.386 -4.202 1.00 0.00 C ATOM 744 O GLU A 50 8.820 -12.535 -4.208 1.00 0.00 O ATOM 745 CB GLU A 50 5.675 -12.901 -2.656 1.00 0.00 C ATOM 746 CG GLU A 50 4.241 -13.115 -3.148 1.00 0.00 C ATOM 747 CD GLU A 50 3.997 -14.583 -3.501 1.00 0.00 C ATOM 748 OE1 GLU A 50 4.679 -15.435 -2.890 1.00 0.00 O ATOM 749 OE2 GLU A 50 3.132 -14.821 -4.372 1.00 0.00 O ATOM 0 H GLU A 50 7.508 -14.498 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 50 6.125 -13.914 -4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.803 -13.373 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.862 -11.836 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.537 -12.801 -2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.056 -12.491 -4.022 1.00 0.00 H new ATOM 756 N SER A 51 6.973 -11.309 -4.655 1.00 0.00 N ATOM 757 CA SER A 51 7.713 -10.190 -5.210 1.00 0.00 C ATOM 758 C SER A 51 7.359 -8.905 -4.461 1.00 0.00 C ATOM 759 O SER A 51 6.632 -8.058 -4.982 1.00 0.00 O ATOM 760 CB SER A 51 7.430 -10.029 -6.705 1.00 0.00 C ATOM 761 OG SER A 51 8.480 -10.558 -7.508 1.00 0.00 O ATOM 0 H SER A 51 5.960 -11.189 -4.648 1.00 0.00 H new ATOM 0 HA SER A 51 8.777 -10.391 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.496 -10.532 -6.953 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.294 -8.973 -6.936 1.00 0.00 H new ATOM 0 HG SER A 51 8.260 -10.437 -8.455 1.00 0.00 H new ATOM 767 N ALA A 52 7.887 -8.797 -3.251 1.00 0.00 N ATOM 768 CA ALA A 52 7.635 -7.629 -2.425 1.00 0.00 C ATOM 769 C ALA A 52 8.496 -6.464 -2.920 1.00 0.00 C ATOM 770 O ALA A 52 7.982 -5.378 -3.186 1.00 0.00 O ATOM 771 CB ALA A 52 7.907 -7.971 -0.958 1.00 0.00 C ATOM 0 H ALA A 52 8.489 -9.500 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 52 6.591 -7.324 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.718 -7.094 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.251 -8.784 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.946 -8.279 -0.843 1.00 0.00 H new ATOM 777 N PRO A 53 9.822 -6.737 -3.033 1.00 0.00 N ATOM 778 CA PRO A 53 10.759 -5.726 -3.491 1.00 0.00 C ATOM 779 C PRO A 53 10.639 -5.512 -5.001 1.00 0.00 C ATOM 780 O PRO A 53 11.362 -4.699 -5.576 1.00 0.00 O ATOM 781 CB PRO A 53 12.127 -6.234 -3.069 1.00 0.00 C ATOM 782 CG PRO A 53 11.955 -7.722 -2.806 1.00 0.00 C ATOM 783 CD PRO A 53 10.465 -8.012 -2.727 1.00 0.00 C ATOM 0 HA PRO A 53 10.564 -4.745 -3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.867 -6.058 -3.850 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.477 -5.717 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.416 -8.306 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.449 -8.005 -1.876 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.173 -8.784 -3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.183 -8.370 -1.737 1.00 0.00 H new ATOM 791 N ALA A 54 9.724 -6.257 -5.602 1.00 0.00 N ATOM 792 CA ALA A 54 9.501 -6.161 -7.034 1.00 0.00 C ATOM 793 C ALA A 54 8.195 -5.407 -7.293 1.00 0.00 C ATOM 794 O ALA A 54 8.091 -4.651 -8.257 1.00 0.00 O ATOM 795 CB ALA A 54 9.496 -7.563 -7.647 1.00 0.00 C ATOM 0 H ALA A 54 9.127 -6.931 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 54 10.306 -5.601 -7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.329 -7.490 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.456 -8.045 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.700 -8.155 -7.195 1.00 0.00 H new ATOM 801 N LEU A 55 7.230 -5.641 -6.414 1.00 0.00 N ATOM 802 CA LEU A 55 5.935 -4.992 -6.535 1.00 0.00 C ATOM 803 C LEU A 55 6.093 -3.493 -6.275 1.00 0.00 C ATOM 804 O LEU A 55 5.475 -2.673 -6.951 1.00 0.00 O ATOM 805 CB LEU A 55 4.910 -5.670 -5.625 1.00 0.00 C ATOM 806 CG LEU A 55 4.144 -6.845 -6.235 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.463 -7.681 -5.149 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.150 -6.362 -7.293 1.00 0.00 C ATOM 0 H LEU A 55 7.319 -6.270 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 55 5.548 -5.100 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.425 -6.023 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.188 -4.920 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 55 4.861 -7.494 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.926 -8.509 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.216 -8.073 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.761 -7.057 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.619 -7.217 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.435 -5.679 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.687 -5.845 -8.088 1.00 0.00 H new ATOM 820 N SER A 56 6.926 -3.181 -5.291 1.00 0.00 N ATOM 821 CA SER A 56 7.172 -1.794 -4.933 1.00 0.00 C ATOM 822 C SER A 56 7.515 -0.983 -6.184 1.00 0.00 C ATOM 823 O SER A 56 8.418 -1.346 -6.935 1.00 0.00 O ATOM 824 CB SER A 56 8.298 -1.684 -3.904 1.00 0.00 C ATOM 825 OG SER A 56 9.181 -2.802 -3.955 1.00 0.00 O ATOM 0 H SER A 56 7.438 -3.864 -4.732 1.00 0.00 H new ATOM 0 HA SER A 56 6.265 -1.390 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.862 -0.768 -4.081 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.869 -1.606 -2.905 1.00 0.00 H new ATOM 0 HG SER A 56 9.887 -2.693 -3.284 1.00 0.00 H new ATOM 831 N ASN A 57 6.774 0.101 -6.369 1.00 0.00 N ATOM 832 CA ASN A 57 6.988 0.966 -7.516 1.00 0.00 C ATOM 833 C ASN A 57 7.155 2.409 -7.036 1.00 0.00 C ATOM 834 O ASN A 57 6.344 2.904 -6.254 1.00 0.00 O ATOM 835 CB ASN A 57 5.795 0.919 -8.472 1.00 0.00 C ATOM 836 CG ASN A 57 6.082 0.007 -9.666 1.00 0.00 C ATOM 837 OD1 ASN A 57 6.143 -1.207 -9.552 1.00 0.00 O ATOM 838 ND2 ASN A 57 6.257 0.656 -10.813 1.00 0.00 N ATOM 0 H ASN A 57 6.025 0.399 -5.744 1.00 0.00 H new ATOM 0 HA ASN A 57 7.880 0.620 -8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.913 0.561 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.568 1.925 -8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.456 0.136 -11.668 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.192 1.674 -10.838 1.00 0.00 H new ATOM 845 N THR A 58 8.210 3.044 -7.526 1.00 0.00 N ATOM 846 CA THR A 58 8.493 4.420 -7.157 1.00 0.00 C ATOM 847 C THR A 58 7.797 5.384 -8.120 1.00 0.00 C ATOM 848 O THR A 58 8.184 6.547 -8.227 1.00 0.00 O ATOM 849 CB THR A 58 10.012 4.596 -7.112 1.00 0.00 C ATOM 850 OG1 THR A 58 10.194 5.946 -6.693 1.00 0.00 O ATOM 851 CG2 THR A 58 10.648 4.549 -8.503 1.00 0.00 C ATOM 0 H THR A 58 8.879 2.630 -8.175 1.00 0.00 H new ATOM 0 HA THR A 58 8.096 4.654 -6.169 1.00 0.00 H new ATOM 0 HB THR A 58 10.449 3.818 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.715 6.545 -7.303 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.727 4.679 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.435 3.586 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.236 5.348 -9.119 1.00 0.00 H new ATOM 859 N LYS A 59 6.784 4.865 -8.797 1.00 0.00 N ATOM 860 CA LYS A 59 6.032 5.665 -9.749 1.00 0.00 C ATOM 861 C LYS A 59 4.889 6.375 -9.020 1.00 0.00 C ATOM 862 O LYS A 59 3.717 6.102 -9.281 1.00 0.00 O ATOM 863 CB LYS A 59 5.570 4.804 -10.926 1.00 0.00 C ATOM 864 CG LYS A 59 5.000 5.672 -12.050 1.00 0.00 C ATOM 865 CD LYS A 59 4.322 4.810 -13.118 1.00 0.00 C ATOM 866 CE LYS A 59 3.362 5.645 -13.967 1.00 0.00 C ATOM 867 NZ LYS A 59 2.321 4.783 -14.570 1.00 0.00 N ATOM 0 H LYS A 59 6.466 3.900 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 59 6.666 6.440 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.408 4.218 -11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.813 4.096 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.281 6.380 -11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.800 6.257 -12.504 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.078 4.356 -13.758 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.777 3.995 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.895 6.412 -13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.915 6.160 -14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.677 5.365 -15.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.771 4.067 -15.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.782 4.311 -13.816 1.00 0.00 H new ATOM 881 N LEU A 60 5.268 7.271 -8.122 1.00 0.00 N ATOM 882 CA LEU A 60 4.289 8.021 -7.354 1.00 0.00 C ATOM 883 C LEU A 60 3.325 8.723 -8.312 1.00 0.00 C ATOM 884 O LEU A 60 3.754 9.375 -9.263 1.00 0.00 O ATOM 885 CB LEU A 60 4.987 8.972 -6.379 1.00 0.00 C ATOM 886 CG LEU A 60 6.276 9.624 -6.885 1.00 0.00 C ATOM 887 CD1 LEU A 60 6.229 11.143 -6.706 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.504 9.005 -6.212 1.00 0.00 C ATOM 0 H LEU A 60 6.240 7.495 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 60 3.693 7.349 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.286 9.762 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.216 8.422 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 60 6.361 9.428 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.157 11.582 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.388 11.550 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.109 11.381 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.407 9.486 -6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.439 9.149 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.542 7.938 -6.434 1.00 0.00 H new ATOM 900 N ALA A 61 2.040 8.566 -8.029 1.00 0.00 N ATOM 901 CA ALA A 61 1.012 9.176 -8.854 1.00 0.00 C ATOM 902 C ALA A 61 0.668 10.559 -8.294 1.00 0.00 C ATOM 903 O ALA A 61 0.297 10.685 -7.128 1.00 0.00 O ATOM 904 CB ALA A 61 -0.208 8.253 -8.917 1.00 0.00 C ATOM 0 H ALA A 61 1.688 8.025 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 61 1.371 9.313 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.979 8.711 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.082 7.295 -9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.597 8.095 -7.911 1.00 0.00 H new ATOM 910 N ILE A 62 0.804 11.559 -9.152 1.00 0.00 N ATOM 911 CA ILE A 62 0.512 12.927 -8.758 1.00 0.00 C ATOM 912 C ILE A 62 -0.986 13.191 -8.917 1.00 0.00 C ATOM 913 O ILE A 62 -1.616 13.767 -8.032 1.00 0.00 O ATOM 914 CB ILE A 62 1.396 13.907 -9.531 1.00 0.00 C ATOM 915 CG1 ILE A 62 2.842 13.410 -9.594 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.299 15.316 -8.942 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.551 13.615 -8.254 1.00 0.00 C ATOM 0 H ILE A 62 1.112 11.450 -10.118 1.00 0.00 H new ATOM 0 HA ILE A 62 0.752 13.080 -7.706 1.00 0.00 H new ATOM 0 HB ILE A 62 1.030 13.961 -10.556 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.856 12.353 -9.859 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.379 13.942 -10.379 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.937 15.993 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.267 15.662 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.624 15.299 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.577 13.253 -8.326 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.557 14.676 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.025 13.062 -7.476 1.00 0.00 H new ATOM 929 N ALA A 63 -1.513 12.757 -10.052 1.00 0.00 N ATOM 930 CA ALA A 63 -2.926 12.940 -10.339 1.00 0.00 C ATOM 931 C ALA A 63 -3.736 11.891 -9.574 1.00 0.00 C ATOM 932 O ALA A 63 -3.305 10.747 -9.435 1.00 0.00 O ATOM 933 CB ALA A 63 -3.154 12.864 -11.850 1.00 0.00 C ATOM 0 H ALA A 63 -0.987 12.279 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.261 13.923 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.214 13.001 -12.065 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.579 13.647 -12.345 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.832 11.890 -12.218 1.00 0.00 H new ATOM 939 N PRO A 64 -4.928 12.328 -9.087 1.00 0.00 N ATOM 940 CA PRO A 64 -5.803 11.440 -8.340 1.00 0.00 C ATOM 941 C PRO A 64 -6.509 10.454 -9.273 1.00 0.00 C ATOM 942 O PRO A 64 -6.354 10.527 -10.491 1.00 0.00 O ATOM 943 CB PRO A 64 -6.768 12.361 -7.611 1.00 0.00 C ATOM 944 CG PRO A 64 -6.697 13.696 -8.334 1.00 0.00 C ATOM 945 CD PRO A 64 -5.472 13.676 -9.233 1.00 0.00 C ATOM 0 HA PRO A 64 -5.261 10.812 -7.633 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.781 11.960 -7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.488 12.469 -6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.600 13.859 -8.923 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.631 14.515 -7.618 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.738 13.886 -10.269 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.746 14.431 -8.931 1.00 0.00 H new ATOM 953 N GLY A 65 -7.269 9.555 -8.665 1.00 0.00 N ATOM 954 CA GLY A 65 -7.998 8.555 -9.426 1.00 0.00 C ATOM 955 C GLY A 65 -7.921 7.186 -8.748 1.00 0.00 C ATOM 956 O GLY A 65 -8.809 6.821 -7.977 1.00 0.00 O ATOM 0 H GLY A 65 -7.396 9.498 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.041 8.857 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.588 8.489 -10.434 1.00 0.00 H new ATOM 960 N SER A 66 -6.854 6.466 -9.057 1.00 0.00 N ATOM 961 CA SER A 66 -6.651 5.145 -8.487 1.00 0.00 C ATOM 962 C SER A 66 -5.367 4.527 -9.043 1.00 0.00 C ATOM 963 O SER A 66 -5.325 4.107 -10.199 1.00 0.00 O ATOM 964 CB SER A 66 -7.845 4.231 -8.772 1.00 0.00 C ATOM 965 OG SER A 66 -8.197 4.229 -10.153 1.00 0.00 O ATOM 0 H SER A 66 -6.120 6.772 -9.695 1.00 0.00 H new ATOM 0 HA SER A 66 -6.559 5.251 -7.406 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.607 3.215 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.700 4.557 -8.180 1.00 0.00 H new ATOM 0 HG SER A 66 -7.384 4.174 -10.698 1.00 0.00 H new ATOM 971 N PHE A 67 -4.350 4.491 -8.194 1.00 0.00 N ATOM 972 CA PHE A 67 -3.067 3.931 -8.586 1.00 0.00 C ATOM 973 C PHE A 67 -3.254 2.713 -9.492 1.00 0.00 C ATOM 974 O PHE A 67 -3.087 2.807 -10.707 1.00 0.00 O ATOM 975 CB PHE A 67 -2.360 3.493 -7.303 1.00 0.00 C ATOM 976 CG PHE A 67 -1.237 4.432 -6.858 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.089 4.511 -7.583 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.387 5.190 -5.739 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.952 5.383 -7.171 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.346 6.062 -5.327 1.00 0.00 C ATOM 981 CZ PHE A 67 0.803 6.141 -6.052 1.00 0.00 C ATOM 0 H PHE A 67 -4.388 4.840 -7.236 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.489 4.674 -9.136 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.096 3.419 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.948 2.495 -7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.030 3.910 -8.472 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.299 5.128 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.864 5.445 -7.747 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.466 6.663 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.595 6.805 -5.739 1.00 0.00 H new ATOM 991 N TYR A 68 -3.600 1.597 -8.867 1.00 0.00 N ATOM 992 CA TYR A 68 -3.812 0.362 -9.602 1.00 0.00 C ATOM 993 C TYR A 68 -4.146 -0.791 -8.653 1.00 0.00 C ATOM 994 O TYR A 68 -4.096 -0.631 -7.435 1.00 0.00 O ATOM 995 CB TYR A 68 -2.489 0.060 -10.309 1.00 0.00 C ATOM 996 CG TYR A 68 -1.254 0.253 -9.427 1.00 0.00 C ATOM 997 CD1 TYR A 68 -0.984 -0.642 -8.411 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.411 1.322 -9.646 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.178 -0.460 -7.580 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.752 1.504 -8.815 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.989 0.605 -7.824 1.00 0.00 C ATOM 1002 OH TYR A 68 2.086 0.777 -7.040 1.00 0.00 O ATOM 0 H TYR A 68 -3.739 1.523 -7.859 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.643 0.468 -10.299 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.508 -0.968 -10.670 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.402 0.703 -11.185 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.645 -1.479 -8.239 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.622 2.023 -10.440 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.401 -1.153 -6.782 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.421 2.337 -8.976 1.00 0.00 H new ATOM 0 HH TYR A 68 2.573 1.577 -7.329 1.00 0.00 H new ATOM 1012 N SER A 69 -4.478 -1.928 -9.247 1.00 0.00 N ATOM 1013 CA SER A 69 -4.818 -3.106 -8.470 1.00 0.00 C ATOM 1014 C SER A 69 -3.801 -4.219 -8.732 1.00 0.00 C ATOM 1015 O SER A 69 -3.158 -4.243 -9.780 1.00 0.00 O ATOM 1016 CB SER A 69 -6.232 -3.593 -8.797 1.00 0.00 C ATOM 1017 OG SER A 69 -6.974 -2.621 -9.528 1.00 0.00 O ATOM 0 H SER A 69 -4.519 -2.058 -10.258 1.00 0.00 H new ATOM 0 HA SER A 69 -4.789 -2.838 -7.414 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.173 -4.515 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.757 -3.830 -7.872 1.00 0.00 H new ATOM 0 HG SER A 69 -7.932 -2.812 -9.447 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.685 -5.113 -7.761 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.757 -6.225 -7.873 1.00 0.00 C ATOM 1025 C VAL A 70 -3.323 -7.434 -7.127 1.00 0.00 C ATOM 1026 O VAL A 70 -3.878 -7.292 -6.038 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.374 -5.805 -7.370 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.573 -5.117 -8.477 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.490 -4.905 -6.137 1.00 0.00 C ATOM 0 H VAL A 70 -4.219 -5.090 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.634 -6.516 -8.916 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.835 -6.707 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.405 -4.829 -8.093 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.446 -5.803 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.107 -4.228 -8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.493 -4.620 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.056 -4.009 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.003 -5.444 -5.340 1.00 0.00 H new ATOM 1039 N THR A 71 -3.164 -8.597 -7.742 1.00 0.00 N ATOM 1040 CA THR A 71 -3.653 -9.830 -7.149 1.00 0.00 C ATOM 1041 C THR A 71 -2.491 -10.643 -6.576 1.00 0.00 C ATOM 1042 O THR A 71 -1.369 -10.563 -7.072 1.00 0.00 O ATOM 1043 CB THR A 71 -4.453 -10.582 -8.215 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.544 -9.713 -8.508 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.121 -11.843 -7.663 1.00 0.00 C ATOM 0 H THR A 71 -2.703 -8.711 -8.645 1.00 0.00 H new ATOM 0 HA THR A 71 -4.315 -9.629 -6.307 1.00 0.00 H new ATOM 0 HB THR A 71 -3.794 -10.851 -9.041 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.114 -10.123 -9.192 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.676 -12.339 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.359 -12.519 -7.276 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.805 -11.570 -6.860 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.800 -11.406 -5.538 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.795 -12.234 -4.892 1.00 0.00 C ATOM 1055 C LEU A 72 -2.185 -13.706 -5.034 1.00 0.00 C ATOM 1056 O LEU A 72 -3.289 -14.020 -5.476 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.588 -11.789 -3.442 1.00 0.00 C ATOM 1058 CG LEU A 72 -0.979 -10.400 -3.247 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -0.993 -9.997 -1.771 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.427 -10.327 -3.847 1.00 0.00 C ATOM 0 H LEU A 72 -3.732 -11.468 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.828 -12.112 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.552 -11.816 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.946 -12.518 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.596 -9.679 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.554 -9.005 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.021 -9.982 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.414 -10.716 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.836 -9.328 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.069 -11.061 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.378 -10.540 -4.915 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.256 -14.570 -4.651 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.488 -16.002 -4.730 1.00 0.00 C ATOM 1074 C GLY A 73 -0.589 -16.759 -3.749 1.00 0.00 C ATOM 1075 O GLY A 73 -0.148 -17.871 -4.038 1.00 0.00 O ATOM 0 H GLY A 73 -0.341 -14.306 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.534 -16.217 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.297 -16.349 -5.745 1.00 0.00 H new ATOM 1079 N THR A 74 -0.346 -16.125 -2.612 1.00 0.00 N ATOM 1080 CA THR A 74 0.492 -16.726 -1.586 1.00 0.00 C ATOM 1081 C THR A 74 0.080 -16.225 -0.201 1.00 0.00 C ATOM 1082 O THR A 74 -0.149 -15.031 -0.010 1.00 0.00 O ATOM 1083 CB THR A 74 1.951 -16.423 -1.932 1.00 0.00 C ATOM 1084 OG1 THR A 74 2.101 -16.912 -3.263 1.00 0.00 O ATOM 1085 CG2 THR A 74 2.933 -17.264 -1.114 1.00 0.00 C ATOM 0 H THR A 74 -0.713 -15.203 -2.378 1.00 0.00 H new ATOM 0 HA THR A 74 0.367 -17.808 -1.556 1.00 0.00 H new ATOM 0 HB THR A 74 2.152 -15.365 -1.765 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.197 -16.157 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.954 -17.010 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.790 -17.060 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.755 -18.322 -1.307 1.00 0.00 H new ATOM 1093 N PRO A 75 -0.004 -17.186 0.756 1.00 0.00 N ATOM 1094 CA PRO A 75 -0.384 -16.856 2.119 1.00 0.00 C ATOM 1095 C PRO A 75 0.766 -16.171 2.859 1.00 0.00 C ATOM 1096 O PRO A 75 1.934 -16.412 2.555 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.791 -18.180 2.746 1.00 0.00 C ATOM 1098 CG PRO A 75 -0.184 -19.262 1.867 1.00 0.00 C ATOM 1099 CD PRO A 75 0.260 -18.610 0.568 1.00 0.00 C ATOM 0 HA PRO A 75 -1.205 -16.140 2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.424 -18.257 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.876 -18.275 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.663 -19.731 2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.913 -20.048 1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.317 -18.794 0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.294 -19.006 -0.283 1.00 0.00 H new ATOM 1107 N GLY A 76 0.397 -15.333 3.817 1.00 0.00 N ATOM 1108 CA GLY A 76 1.384 -14.613 4.602 1.00 0.00 C ATOM 1109 C GLY A 76 0.952 -13.162 4.829 1.00 0.00 C ATOM 1110 O GLY A 76 -0.112 -12.750 4.371 1.00 0.00 O ATOM 0 H GLY A 76 -0.572 -15.137 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.523 -15.109 5.562 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.346 -14.634 4.091 1.00 0.00 H new ATOM 1114 N THR A 77 1.801 -12.430 5.535 1.00 0.00 N ATOM 1115 CA THR A 77 1.520 -11.034 5.828 1.00 0.00 C ATOM 1116 C THR A 77 2.454 -10.124 5.029 1.00 0.00 C ATOM 1117 O THR A 77 3.674 -10.283 5.078 1.00 0.00 O ATOM 1118 CB THR A 77 1.627 -10.838 7.341 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.828 -9.686 7.599 1.00 0.00 O ATOM 1120 CG2 THR A 77 3.032 -10.423 7.780 1.00 0.00 C ATOM 0 H THR A 77 2.683 -12.776 5.913 1.00 0.00 H new ATOM 0 HA THR A 77 0.510 -10.760 5.522 1.00 0.00 H new ATOM 0 HB THR A 77 1.347 -11.762 7.847 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.116 -9.901 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.053 -10.297 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.746 -11.194 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.300 -9.482 7.300 1.00 0.00 H new ATOM 1128 N TYR A 78 1.848 -9.189 4.313 1.00 0.00 N ATOM 1129 CA TYR A 78 2.610 -8.253 3.505 1.00 0.00 C ATOM 1130 C TYR A 78 2.615 -6.860 4.138 1.00 0.00 C ATOM 1131 O TYR A 78 1.565 -6.341 4.515 1.00 0.00 O ATOM 1132 CB TYR A 78 1.897 -8.182 2.154 1.00 0.00 C ATOM 1133 CG TYR A 78 1.935 -9.491 1.361 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.318 -10.619 1.862 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.586 -9.542 0.146 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.355 -11.850 1.116 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.623 -10.774 -0.600 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.005 -11.866 -0.078 1.00 0.00 C ATOM 1139 OH TYR A 78 2.039 -13.030 -0.783 1.00 0.00 O ATOM 0 H TYR A 78 0.837 -9.060 4.276 1.00 0.00 H new ATOM 0 HA TYR A 78 3.646 -8.581 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.857 -7.898 2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.352 -7.393 1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.808 -10.579 2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.068 -8.659 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.877 -12.741 1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.130 -10.828 -1.552 1.00 0.00 H new ATOM 0 HH TYR A 78 1.314 -13.616 -0.481 1.00 0.00 H new ATOM 1149 N SER A 79 3.809 -6.293 4.236 1.00 0.00 N ATOM 1150 CA SER A 79 3.964 -4.971 4.817 1.00 0.00 C ATOM 1151 C SER A 79 4.361 -3.966 3.733 1.00 0.00 C ATOM 1152 O SER A 79 4.793 -4.355 2.649 1.00 0.00 O ATOM 1153 CB SER A 79 5.006 -4.980 5.937 1.00 0.00 C ATOM 1154 OG SER A 79 5.364 -3.662 6.344 1.00 0.00 O ATOM 0 H SER A 79 4.678 -6.726 3.923 1.00 0.00 H new ATOM 0 HA SER A 79 3.008 -4.673 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.614 -5.530 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.897 -5.510 5.599 1.00 0.00 H new ATOM 0 HG SER A 79 6.030 -3.711 7.061 1.00 0.00 H new ATOM 1160 N PHE A 80 4.198 -2.692 4.062 1.00 0.00 N ATOM 1161 CA PHE A 80 4.534 -1.630 3.131 1.00 0.00 C ATOM 1162 C PHE A 80 4.458 -0.261 3.810 1.00 0.00 C ATOM 1163 O PHE A 80 4.072 -0.162 4.973 1.00 0.00 O ATOM 1164 CB PHE A 80 3.503 -1.682 2.002 1.00 0.00 C ATOM 1165 CG PHE A 80 2.074 -1.959 2.476 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.652 -3.240 2.651 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.227 -0.924 2.722 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.327 -3.496 3.091 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.097 -1.180 3.161 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.520 -2.461 3.337 1.00 0.00 C ATOM 0 H PHE A 80 3.837 -2.373 4.961 1.00 0.00 H new ATOM 0 HA PHE A 80 5.550 -1.768 2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.519 -0.734 1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.796 -2.455 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.325 -4.062 2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.563 0.093 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.009 -4.513 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.770 -0.358 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.528 -2.656 3.672 1.00 0.00 H new ATOM 1180 N TYR A 81 4.834 0.760 3.054 1.00 0.00 N ATOM 1181 CA TYR A 81 4.813 2.120 3.569 1.00 0.00 C ATOM 1182 C TYR A 81 4.667 3.133 2.433 1.00 0.00 C ATOM 1183 O TYR A 81 4.461 2.756 1.281 1.00 0.00 O ATOM 1184 CB TYR A 81 6.165 2.331 4.256 1.00 0.00 C ATOM 1185 CG TYR A 81 7.354 1.767 3.475 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.902 2.492 2.435 1.00 0.00 C ATOM 1187 CD2 TYR A 81 7.878 0.536 3.809 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.021 1.961 1.700 1.00 0.00 C ATOM 1189 CE2 TYR A 81 8.998 0.006 3.074 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.514 0.745 2.056 1.00 0.00 C ATOM 1191 OH TYR A 81 10.571 0.244 1.362 1.00 0.00 O ATOM 0 H TYR A 81 5.155 0.674 2.090 1.00 0.00 H new ATOM 0 HA TYR A 81 3.973 2.261 4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.319 3.399 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.137 1.866 5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.492 3.456 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.449 -0.031 4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.459 2.517 0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.418 -0.956 3.326 1.00 0.00 H new ATOM 0 HH TYR A 81 10.310 -0.597 0.931 1.00 0.00 H new ATOM 1201 N CYS A 82 4.781 4.403 2.798 1.00 0.00 N ATOM 1202 CA CYS A 82 4.663 5.475 1.824 1.00 0.00 C ATOM 1203 C CYS A 82 5.813 6.459 2.053 1.00 0.00 C ATOM 1204 O CYS A 82 5.718 7.342 2.904 1.00 0.00 O ATOM 1205 CB CYS A 82 3.298 6.162 1.900 1.00 0.00 C ATOM 1206 SG CYS A 82 3.178 7.733 0.970 1.00 0.00 S ATOM 0 H CYS A 82 4.954 4.713 3.754 1.00 0.00 H new ATOM 0 HA CYS A 82 4.732 5.065 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.540 5.475 1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.062 6.356 2.946 1.00 0.00 H new ATOM 1211 N THR A 83 6.871 6.274 1.278 1.00 0.00 N ATOM 1212 CA THR A 83 8.036 7.134 1.385 1.00 0.00 C ATOM 1213 C THR A 83 7.627 8.530 1.862 1.00 0.00 C ATOM 1214 O THR A 83 8.117 9.010 2.883 1.00 0.00 O ATOM 1215 CB THR A 83 8.747 7.140 0.029 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.878 6.297 0.228 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.352 8.503 -0.310 1.00 0.00 C ATOM 0 H THR A 83 6.946 5.541 0.573 1.00 0.00 H new ATOM 0 HA THR A 83 8.735 6.760 2.133 1.00 0.00 H new ATOM 0 HB THR A 83 8.043 6.853 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.396 6.242 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.844 8.451 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.562 9.254 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.082 8.777 0.452 1.00 0.00 H new ATOM 1225 N PRO A 84 6.710 9.158 1.078 1.00 0.00 N ATOM 1226 CA PRO A 84 6.228 10.489 1.411 1.00 0.00 C ATOM 1227 C PRO A 84 5.246 10.441 2.583 1.00 0.00 C ATOM 1228 O PRO A 84 4.325 9.627 2.592 1.00 0.00 O ATOM 1229 CB PRO A 84 5.598 11.010 0.129 1.00 0.00 C ATOM 1230 CG PRO A 84 5.334 9.786 -0.733 1.00 0.00 C ATOM 1231 CD PRO A 84 6.107 8.620 -0.138 1.00 0.00 C ATOM 0 HA PRO A 84 7.025 11.153 1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.673 11.547 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.264 11.708 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.268 9.562 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.649 9.968 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.448 7.780 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.867 8.255 -0.829 1.00 0.00 H new ATOM 1239 N HIS A 85 5.478 11.323 3.543 1.00 0.00 N ATOM 1240 CA HIS A 85 4.626 11.391 4.718 1.00 0.00 C ATOM 1241 C HIS A 85 5.026 10.294 5.707 1.00 0.00 C ATOM 1242 O HIS A 85 4.480 10.216 6.806 1.00 0.00 O ATOM 1243 CB HIS A 85 3.149 11.324 4.323 1.00 0.00 C ATOM 1244 CG HIS A 85 2.876 11.737 2.896 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.031 11.030 2.060 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.344 12.791 2.168 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.999 11.639 0.884 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.815 12.730 0.953 1.00 0.00 N ATOM 0 H HIS A 85 6.244 11.997 3.532 1.00 0.00 H new ATOM 0 HA HIS A 85 4.765 12.350 5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.790 10.306 4.471 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.575 11.965 4.992 1.00 0.00 H new ATOM 0 HD2 HIS A 85 4.029 13.547 2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.428 11.327 0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.990 13.390 0.195 1.00 0.00 H new ATOM 1256 N ARG A 86 5.975 9.475 5.279 1.00 0.00 N ATOM 1257 CA ARG A 86 6.453 8.385 6.114 1.00 0.00 C ATOM 1258 C ARG A 86 6.599 8.851 7.563 1.00 0.00 C ATOM 1259 O ARG A 86 6.168 8.162 8.487 1.00 0.00 O ATOM 1260 CB ARG A 86 7.803 7.864 5.616 1.00 0.00 C ATOM 1261 CG ARG A 86 8.863 8.965 5.648 1.00 0.00 C ATOM 1262 CD ARG A 86 10.144 8.516 4.941 1.00 0.00 C ATOM 1263 NE ARG A 86 11.305 9.266 5.470 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.579 8.876 5.327 1.00 0.00 C ATOM 1265 NH1 ARG A 86 12.863 7.744 4.672 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.568 9.621 5.840 1.00 0.00 N ATOM 0 H ARG A 86 6.426 9.544 4.366 1.00 0.00 H new ATOM 0 HA ARG A 86 5.721 7.579 6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.125 7.027 6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.698 7.486 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.474 9.863 5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.087 9.228 6.682 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.294 7.446 5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.053 8.681 3.867 1.00 0.00 H new ATOM 0 HE ARG A 86 11.124 10.134 5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.110 7.178 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.833 7.447 4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.351 10.484 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.538 9.325 5.732 1.00 0.00 H new ATOM 1280 N GLY A 87 7.206 10.018 7.718 1.00 0.00 N ATOM 1281 CA GLY A 87 7.413 10.584 9.041 1.00 0.00 C ATOM 1282 C GLY A 87 6.078 10.924 9.707 1.00 0.00 C ATOM 1283 O GLY A 87 5.925 10.762 10.917 1.00 0.00 O ATOM 0 H GLY A 87 7.561 10.587 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.963 9.876 9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.025 11.483 8.964 1.00 0.00 H new ATOM 1287 N ALA A 88 5.146 11.389 8.889 1.00 0.00 N ATOM 1288 CA ALA A 88 3.828 11.752 9.383 1.00 0.00 C ATOM 1289 C ALA A 88 3.138 10.507 9.944 1.00 0.00 C ATOM 1290 O ALA A 88 2.125 10.612 10.634 1.00 0.00 O ATOM 1291 CB ALA A 88 3.025 12.408 8.259 1.00 0.00 C ATOM 0 H ALA A 88 5.277 11.523 7.886 1.00 0.00 H new ATOM 0 HA ALA A 88 3.907 12.477 10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.037 12.680 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.543 13.303 7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.922 11.708 7.429 1.00 0.00 H new ATOM 1297 N GLY A 89 3.714 9.356 9.626 1.00 0.00 N ATOM 1298 CA GLY A 89 3.166 8.093 10.091 1.00 0.00 C ATOM 1299 C GLY A 89 2.167 7.524 9.081 1.00 0.00 C ATOM 1300 O GLY A 89 0.964 7.752 9.197 1.00 0.00 O ATOM 0 H GLY A 89 4.553 9.272 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.974 7.379 10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.674 8.238 11.053 1.00 0.00 H new ATOM 1304 N MET A 90 2.702 6.796 8.113 1.00 0.00 N ATOM 1305 CA MET A 90 1.874 6.193 7.083 1.00 0.00 C ATOM 1306 C MET A 90 2.335 4.769 6.770 1.00 0.00 C ATOM 1307 O MET A 90 3.107 4.554 5.837 1.00 0.00 O ATOM 1308 CB MET A 90 1.939 7.042 5.812 1.00 0.00 C ATOM 1309 CG MET A 90 0.948 6.535 4.763 1.00 0.00 C ATOM 1310 SD MET A 90 0.184 7.917 3.929 1.00 0.00 S ATOM 1311 CE MET A 90 -0.225 7.149 2.369 1.00 0.00 C ATOM 0 H MET A 90 3.701 6.610 8.020 1.00 0.00 H new ATOM 0 HA MET A 90 0.848 6.149 7.449 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.718 8.082 6.053 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.950 7.017 5.405 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.463 5.902 4.040 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.185 5.919 5.239 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.106 7.632 1.946 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.613 7.255 1.680 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.432 6.091 2.528 1.00 0.00 H new ATOM 1321 N VAL A 91 1.845 3.832 7.569 1.00 0.00 N ATOM 1322 CA VAL A 91 2.199 2.434 7.390 1.00 0.00 C ATOM 1323 C VAL A 91 0.927 1.620 7.137 1.00 0.00 C ATOM 1324 O VAL A 91 -0.172 2.061 7.467 1.00 0.00 O ATOM 1325 CB VAL A 91 2.998 1.937 8.596 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.301 2.723 8.752 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.160 2.006 9.874 1.00 0.00 C ATOM 0 H VAL A 91 1.205 4.014 8.342 1.00 0.00 H new ATOM 0 HA VAL A 91 2.843 2.311 6.519 1.00 0.00 H new ATOM 0 HB VAL A 91 3.256 0.893 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.850 2.350 9.617 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.909 2.601 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.074 3.779 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.751 1.647 10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.858 3.037 10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.273 1.383 9.762 1.00 0.00 H new ATOM 1337 N GLY A 92 1.123 0.446 6.555 1.00 0.00 N ATOM 1338 CA GLY A 92 0.006 -0.434 6.255 1.00 0.00 C ATOM 1339 C GLY A 92 0.467 -1.889 6.151 1.00 0.00 C ATOM 1340 O GLY A 92 1.665 -2.168 6.180 1.00 0.00 O ATOM 0 H GLY A 92 2.037 0.084 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.752 -0.344 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.461 -0.129 5.318 1.00 0.00 H new ATOM 1344 N THR A 93 -0.507 -2.779 6.032 1.00 0.00 N ATOM 1345 CA THR A 93 -0.217 -4.198 5.924 1.00 0.00 C ATOM 1346 C THR A 93 -1.341 -4.918 5.175 1.00 0.00 C ATOM 1347 O THR A 93 -2.437 -4.379 5.028 1.00 0.00 O ATOM 1348 CB THR A 93 0.020 -4.742 7.334 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.743 -3.703 7.989 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.980 -5.933 7.350 1.00 0.00 C ATOM 0 H THR A 93 -1.499 -2.544 6.008 1.00 0.00 H new ATOM 0 HA THR A 93 0.685 -4.373 5.337 1.00 0.00 H new ATOM 0 HB THR A 93 -0.932 -5.039 7.773 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.938 -3.971 8.911 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.113 -6.280 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.568 -6.740 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.944 -5.629 6.942 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.030 -6.124 4.724 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.001 -6.922 3.995 1.00 0.00 C ATOM 1360 C ILE A 94 -1.744 -8.405 4.269 1.00 0.00 C ATOM 1361 O ILE A 94 -0.616 -8.877 4.139 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.984 -6.560 2.508 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.535 -5.150 2.280 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.732 -7.607 1.680 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.447 -4.759 0.805 1.00 0.00 C ATOM 0 H ILE A 94 -0.120 -6.568 4.849 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.011 -6.703 4.342 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.948 -6.560 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.573 -5.103 2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.975 -4.435 2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.705 -7.326 0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.257 -8.580 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.768 -7.663 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.845 -3.753 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.406 -4.783 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.028 -5.462 0.207 1.00 0.00 H new ATOM 1377 N THR A 95 -2.809 -9.098 4.643 1.00 0.00 N ATOM 1378 CA THR A 95 -2.713 -10.518 4.936 1.00 0.00 C ATOM 1379 C THR A 95 -3.461 -11.333 3.879 1.00 0.00 C ATOM 1380 O THR A 95 -4.477 -10.887 3.350 1.00 0.00 O ATOM 1381 CB THR A 95 -3.234 -10.743 6.358 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.389 -9.932 7.170 1.00 0.00 O ATOM 1383 CG2 THR A 95 -2.977 -12.167 6.856 1.00 0.00 C ATOM 0 H THR A 95 -3.743 -8.703 4.750 1.00 0.00 H new ATOM 0 HA THR A 95 -1.679 -10.862 4.894 1.00 0.00 H new ATOM 0 HB THR A 95 -4.303 -10.535 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.658 -10.017 8.109 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.365 -12.274 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.477 -12.878 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.905 -12.365 6.856 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.927 -12.514 3.602 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.530 -13.396 2.617 1.00 0.00 C ATOM 1393 C VAL A 96 -3.802 -14.758 3.258 1.00 0.00 C ATOM 1394 O VAL A 96 -3.108 -15.732 2.971 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.639 -13.484 1.378 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -3.008 -14.698 0.522 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.708 -12.194 0.559 1.00 0.00 C ATOM 0 H VAL A 96 -2.083 -12.880 4.043 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.488 -12.998 2.283 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.610 -13.612 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.359 -14.737 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.882 -15.608 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.046 -14.614 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.065 -12.284 -0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.735 -12.021 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.373 -11.356 1.171 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.813 -14.784 4.114 1.00 0.00 N ATOM 1408 CA GLU A 97 -5.185 -16.011 4.797 1.00 0.00 C ATOM 1409 C GLU A 97 -6.209 -16.790 3.970 1.00 0.00 C ATOM 1410 O GLU A 97 -7.151 -17.359 4.518 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.723 -15.717 6.199 1.00 0.00 C ATOM 1412 CG GLU A 97 -4.843 -16.366 7.270 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.223 -17.833 7.476 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -6.350 -18.066 7.965 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -4.378 -18.690 7.138 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.989 -16.791 2.663 1.00 0.00 O ATOM 0 H GLU A 97 -5.386 -13.974 4.350 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.292 -16.627 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.762 -14.640 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.744 -16.090 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.796 -16.296 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.948 -15.824 8.210 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.470 9.197 1.597 1.00 0.00 CU